orbital_charges     :real:2:4,6
  0.176139876880453E+001  0.160473608114635E+001  0.199999980789396E+001
  0.136160567877322E+001  0.175549012447991E+001  0.178458516027592E+001
  0.124253505294905E+001  0.190443256717330E+001  0.637729310102674E+000
  0.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
  0.655997321347173E+000  0.000000000000000E+000  0.000000000000000E+000
  0.000000000000000E+000  0.645745063526961E+000  0.000000000000000E+000
  0.000000000000000E+000  0.000000000000000E+000  0.645745063526961E+000
  0.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
forces              :real:2:3,6
  0.240095591020582E-002  0.545691568134843E-002  0.221583819001725E-016
  0.981858911899072E-003 -0.482816582021975E-002  0.832667268468867E-016
 -0.886755872457623E-004 -0.203266082282915E-002  0.117093834628434E-015
 -0.801928187752918E-003 -0.317470054171848E-002 -0.138047735677611E-015
 -0.124610552355309E-002  0.228930575170946E-002 -0.250279579487755E-003
 -0.124610552355309E-002  0.228930575170952E-002  0.250279579487672E-003
mermin_energy       :real:0:
 -0.818210048754725E+001
end_coords          :real:2:3,6
 -0.271996687824347E+001 -0.290459199238930E+000  0.000000000000000E+000
  0.265936003987201E+001  0.299038290665440E+000  0.000000000000000E+000
 -0.899423417955748E+000  0.248003103398725E-001  0.000000000000000E+000
 -0.353654930089408E+001  0.134700139007677E+001  0.000000000000000E+000
  0.321499885570477E+001 -0.633830442699172E+000 -0.147227765644173E+001
  0.321499885570477E+001 -0.633830442699172E+000  0.147227765644173E+001
